[3-bromo-5-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine

C13H16BrN3O3 — CID 60887547

IUPAC[3-bromo-5-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
SMILESCCOc1cc(CN)cc(Br)c1OCc1nc(C)no1
InChIInChI=1S/C13H16BrN3O3/c1-3-18-11-5-9(6-15)4-10(14)13(11)19-7-12-16-8(2)17-20-12/h4-5H,3,6-7,15H2,1-2H3
InChIKeyFYNAMQXIFWFIQJ-UHFFFAOYSA-N
MW342.19 g/mol
LogP2.58
Rot. Bonds6

About [3-bromo-5-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine

[3-bromo-5-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine (PubChem CID 60887547) has the molecular formula C13H16BrN3O3 and a molecular weight of 342.19 g/mol. Its IUPAC name is [3-bromo-5-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-5-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
PubChem CID60887547
Molecular FormulaC13H16BrN3O3
Molecular Weight342.19 g/mol
Exact Mass341.04
IUPAC Name[3-bromo-5-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
SMILESCCOc1cc(CN)cc(Br)c1OCc1nc(C)no1
InChIInChI=1S/C13H16BrN3O3/c1-3-18-11-5-9(6-15)4-10(14)13(11)19-7-12-16-8(2)17-20-12/h4-5H,3,6-7,15H2,1-2H3
InChIKeyFYNAMQXIFWFIQJ-UHFFFAOYSA-N
XLogP2.58
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-bromo-5-ethoxy-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 61497341
[3-bromo-5-ethoxy-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 43627156
[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methoxyphenyl]methanamine
CID 61497302
1-[3,5-dibromo-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine
CID 107741782
[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 43626842
[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]-5-ethoxyphenyl]methanamine
CID 104796211
[3,5-dibromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 107741561
N-[[3,5-dibromo-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 107742358
2-[3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 60905967
2-[3-bromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methoxyphenyl]ethanamine
CID 60905776
(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methanamine
CID 60888713
[3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine
CID 60888899

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-bromo-5-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine (CID 60887547) is [3-bromo-5-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-bromo-5-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-bromo-5-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine is CCOc1cc(CN)cc(Br)c1OCc1nc(C)no1.
What is the InChIKey of [3-bromo-5-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
The InChIKey is FYNAMQXIFWFIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3/c1-3-18-11-5-9(6-15)4-10(14)13(11)19-7-12-16-8(2)17-20-12/h4-5H,3,6-7,15H2,1-2H3.
What are the key properties of [3-bromo-5-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
[3-bromo-5-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine has a molecular weight of 342.19 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 60887547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).